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Density Functional Tight Binding (DFTB) is an attractive method for accelerated quantum simulations of condensed matter due to its enhanced computational efficiency over standard Density Functional Theory approaches. However, DFTB models…

In this paper, we assess the performance of adaptive and nested factorized sparse approximate inverses as smoothers in multilevel V-cycles, when smoothing is performed following the Chebyshev iteration of the fourth kind. For our test…

Numerical Analysis · Mathematics 2025-09-25 Pablo Jiménez Recio , Marc Alexander Schweitzer

For a function that is analytic on and around an interval, Chebyshev polynomial interpolation provides spectral convergence. However, if the function has a singularity close to the interval, the rate of convergence is near one. In these…

Numerical Analysis · Mathematics 2017-08-10 Kevin W. Aiton , Tobin A. Driscoll

The Fr\'echet distance provides a natural and intuitive measure for the popular task of computing the similarity of two (polygonal) curves. While a simple algorithm computes it in near-quadratic time, a strongly subquadratic algorithm…

Computational Geometry · Computer Science 2019-01-08 Karl Bringmann , Marvin Künnemann , André Nusser

A new algorithm to approximate Hermitian matrices by positive semidefinite Hermitian matrices based on modified Cholesky decompositions is presented. In contrast to existing algorithms, this algorithm allows to specify bounds on the…

Numerical Analysis · Mathematics 2019-12-12 Joscha Reimer

This paper studies the cosine as basis function for the approximation of univariate and continuous functions without memory. This work studies a supervised learning to obtain the approximation coefficients, instead of using the Discrete…

Signal Processing · Electrical Eng. & Systems 2024-05-28 Ana I. Pérez-Neira , Marc Martinez-Gost , Miguel Ángel Lagunas

Solving the Kohn-Sham eigenvalue problem constitutes the most computationally expensive part in self-consistent density functional theory (DFT) calculations. In a previous paper, we have proposed a nonlinear Chebyshev-filtered subspace…

Materials Science · Physics 2009-11-13 Yunkai Zhou , Yousef Saad , Murilo L. Tiago , James R. Chelikowsky

We develop new approximation algorithms and data structures for representing and computing with multivariate functions using the functional tensor-train (FT), a continuous extension of the tensor-train (TT) decomposition. The FT represents…

Numerical Analysis · Mathematics 2018-12-13 Alex A. Gorodetsky , Sertac Karaman , Youssef M. Marzouk

Nonuniform Fourier data are routinely collected in applications such as magnetic resonance imaging, synthetic aperture radar, and synthetic imaging in radio astronomy. To acquire a fast reconstruction that does not require an online inverse…

Numerical Analysis · Mathematics 2016-10-05 Anne Gelb , Guohui Song

We study Chebyshev filter diagonalization as a tool for the computation of many interior eigenvalues of very large sparse symmetric matrices. In this technique the subspace projection onto the target space of wanted eigenvectors is…

In this paper we develop an optimisation based approach to multivariate Chebyshev approximation on a finite grid. We consider two models: multivariate polynomial approximation and multivariate generalised rational approximation. In the…

Optimization and Control · Mathematics 2025-01-30 R. Díaz Millán , V. Peiris , N. Sukhorukova , J. Ugon

We consider the sparse polynomial approximation of a multivariate function on a tensor product domain from samples of both the function and its gradient. When only function samples are prescribed, weighted $\ell^1$ minimization has recently…

Numerical Analysis · Mathematics 2019-02-22 Ben Adcock , Yi Sui

We analyze the convergence of compressive sensing based sampling techniques for the efficient evaluation of functionals of solutions for a class of high-dimensional, affine-parametric, linear operator equations which depend on possibly…

Numerical Analysis · Mathematics 2015-09-22 Holger Rauhut , Christoph Schwab

Discrete Fourier transforms~(DFTs) over finite fields have widespread applications in digital communication and storage systems. Hence, reducing the computational complexities of DFTs is of great significance. Recently proposed cyclotomic…

Information Theory · Computer Science 2015-05-19 Xuebin Wu , Meghanad Wagh , Ning Chen , Zhiyuan Yan , Ying Wang

In this article, we develop a new method to approximate numerically the fractional Laplacian of functions defined on $\mathbb R$, as well as some more general singular integrals. After mapping $\mathbb R$ into a finite interval, we…

Numerical Analysis · Mathematics 2022-12-13 Jorge Cayama , Carlota M. Cuesta , Francisco de la Hoz , Carlos J. Garcia-Cervera

This paper describes a fast algorithm for transforming Legendre coefficients into Chebyshev coefficients, and vice versa. The algorithm is based on the fast multipole method and is similar to the approach described by Alpert and Rokhlin…

Numerical Analysis · Mathematics 2024-11-04 Mikael Mortensen

We propose a DC proximal Newton algorithm for solving nonconvex regularized sparse learning problems in high dimensions. Our proposed algorithm integrates the proximal Newton algorithm with multi-stage convex relaxation based on the…

Machine Learning · Statistics 2018-02-16 Xingguo Li , Lin F. Yang , Jason Ge , Jarvis Haupt , Tong Zhang , Tuo Zhao

Sparse approximations using highly over-complete dictionaries is a state-of-the-art tool for many imaging applications including denoising, super-resolution, compressive sensing, light-field analysis, and object recognition. Unfortunately,…

Computer Vision and Pattern Recognition · Computer Science 2014-12-03 Ali Ayremlou , Thomas Goldstein , Ashok Veeraraghavan , Richard Baraniuk

Depth completion is crucial for many robotic tasks such as autonomous driving, 3-D reconstruction, and manipulation. Despite the significant progress, existing methods remain computationally intensive and often fail to meet the real-time…

Computer Vision and Pattern Recognition · Computer Science 2023-08-01 Tianan Li , Zhehan Chen , Huan Liu , Chen Wang

Many interesting and fundamentally practical optimization problems, ranging from optics, to signal processing, to radar and acoustics, involve constraints on the Fourier transform of a function. It is well-known that the {\em fast Fourier…

Optimization and Control · Mathematics 2012-09-05 Robert J. Vanderbei